文献类型：期刊文献

英文题名：Computational design of a molecularly imprinted polymer compatible with an aqueous environment for solid phase extraction of chenodeoxycholic acid

作者：Yu, Xue[1];Zeng, Hainan[1];Wan, Junfen[1];Cao, Xuejun[1]

机构：[1]East China Univ Sci & Technol, Dept Bioengn, State Key Lab Bioreactor Engn, 130 Meilong Rd, Shanghai 200237, Peoples R China

年份：2020

卷号：1609

外文期刊名：JOURNAL OF CHROMATOGRAPHY A

收录：;EI(收录号：20193807451682);WOS:【SCI-EXPANDED(收录号:WOS:000509632500014)】；

语种：英文

外文关键词：Molecularly imprinted polymers; Chenodeoxycholic acid; Molecular simulation; Water compatibility; Solid phase extraction

摘要：The main problem of poor water compatibility of molecularly imprinted polymers (MIPs) has been addressed in this study. A new facile and highly efficient approach was developed to obtain well-defined hydrophilic molecularly imprinted polymer microsphere with excellent specific recognition ability toward Chenodeoxycholic acid (CDCA) in crude bile. Particularly, it involved computational modeling to obtain a polymer network with high affinity for CDCA and addition of a hydrophilic crosslinker (polyethylene glycol (PEG) diacrylate similar to 200) to increase the hydrophilicity of the polymer surface. To our knowledge, this study first report splitting method in molecular imprinting technology. By using the splitting method, simulation time can be saved under the premise of ensuring accuracy. The adsorption experiments revealed that an optimized CDCA-MIP exhibited better selectivity toward CDCA with inhibition of the nonspecific adsorption. The CDCA-MIP possessed adsorption capacity of 49.86 mg g(-1) for CDCA and the imprinting factor was 2.72. Solid-phase extraction (SPE) using the prepared CDCA-MIP as adsorbent was optimized regarding loading and elution conditions, and it was used to extract COCA from crude bile, resulting in recoveries in the range 94.2-96.1%. (C) 2019 Elsevier B.V. All rights reserved.